ethyl 4-azanyl-6-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]quinoline-3-carboxylate

Systemtic Name: ethyl 4-azanyl-6-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]quinoline-3-carboxylate Openeye Name: ethyl 4-amino-6-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]quinoline-3-carboxylate CAS Name: 4-amino-6-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-6-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]quinoline-3-carboxylate Traditional Name: 4-amino-6-[[(E)-3-(3-nitrophenyl)acryloyl]amino]quinoline-3-carboxylic acid ethyl ester Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1N)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1N)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5/c1-2-30-21(27)17-12-23-18-8-7-14(11-16(18)20(17)22)24-19(26)9-6-13-4-3-5-15(10-13)25(28)29/h3-12H,2H2,1H3,(H2,22,23)(H,24,26)/b9-6+